1-(4-methylphenyl)sulfonyl-5,5-diphenylpiperidin-3-ol

C24H25NO3S — CID 101497875

IUPAC1-(4-methylphenyl)sulfonyl-5,5-diphenylpiperidin-3-ol
SMILESCc1ccc(S(=O)(=O)N2CC(O)CC(c3ccccc3)(c3ccccc3)C2)cc1
InChIInChI=1S/C24H25NO3S/c1-19-12-14-23(15-13-19)29(27,28)25-17-22(26)16-24(18-25,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,22,26H,16-18H2,1H3
InChIKeyGFWUYHWCWSYDCF-UHFFFAOYSA-N
MW407.54 g/mol
LogP3.74
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-5,5-diphenylpiperidin-3-ol

1-(4-methylphenyl)sulfonyl-5,5-diphenylpiperidin-3-ol (PubChem CID 101497875) has the molecular formula C24H25NO3S and a molecular weight of 407.54 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-5,5-diphenylpiperidin-3-ol.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-5,5-diphenylpiperidin-3-ol
PubChem CID101497875
Molecular FormulaC24H25NO3S
Molecular Weight407.54 g/mol
Exact Mass407.16
IUPAC Name1-(4-methylphenyl)sulfonyl-5,5-diphenylpiperidin-3-ol
SMILESCc1ccc(S(=O)(=O)N2CC(O)CC(c3ccccc3)(c3ccccc3)C2)cc1
InChIInChI=1S/C24H25NO3S/c1-19-12-14-23(15-13-19)29(27,28)25-17-22(26)16-24(18-25,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,22,26H,16-18H2,1H3
InChIKeyGFWUYHWCWSYDCF-UHFFFAOYSA-N
XLogP3.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-tert-butylphenyl)sulfonyl]-4-(tetrahydro-2H-pyran-2-ylmethyl)piperidin-4-yl]methanol
CID 16187906
{4-Benzyl-1-[(3-methylphenyl)sulfonyl]piperidin-4-yl}methanol
CID 16188506
(1R,5S)-8-(4-tert-butylphenylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 46880557
(4-(3-Phenylpropyl)-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-4-piperidinyl)methanol
CID 23723796
1-[2-(4-Iodophenyl)ethyl]-1-methylpiperidin-1-ium-3-ol;4-methylbenzenesulfonate
CID 162310611
[1-(4-Methylphenyl)sulfonylpiperidin-4-yl]-diphenylmethanol
CID 4784925
{4-(3-Fluorobenzyl)-1-[(3-fluorophenyl)sulfonyl]piperidin-4-yl}methanol
CID 16187769
5,5-Diphenyl-1-tosylpiperidin-3-yl 2,2,2-trifluoroacetate
CID 132276660
[(3R,5R)-1-(4-methylphenyl)sulfonyl-5-phenylpiperidin-3-yl] trifluoromethanesulfinate
CID 135033347
[2-(4-Methylphenyl)sulfonyl-2-azaspiro[5.5]undecan-4-yl] trifluoromethanesulfinate
CID 135033349
N-[5-(3-fluorophenyl)-4-hydroxypentyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 135068629
(5R)-1-(4-methylphenyl)sulfonyl-3,3-diphenyl-5-(trifluoromethoxy)piperidine
CID 138971571

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-5,5-diphenylpiperidin-3-ol?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-5,5-diphenylpiperidin-3-ol (CID 101497875) is 1-(4-methylphenyl)sulfonyl-5,5-diphenylpiperidin-3-ol.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-5,5-diphenylpiperidin-3-ol?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-5,5-diphenylpiperidin-3-ol is Cc1ccc(S(=O)(=O)N2CC(O)CC(c3ccccc3)(c3ccccc3)C2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-5,5-diphenylpiperidin-3-ol?
The InChIKey is GFWUYHWCWSYDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3S/c1-19-12-14-23(15-13-19)29(27,28)25-17-22(26)16-24(18-25,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,22,26H,16-18H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-5,5-diphenylpiperidin-3-ol?
1-(4-methylphenyl)sulfonyl-5,5-diphenylpiperidin-3-ol has a molecular weight of 407.54 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-5,5-diphenylpiperidin-3-ol is sourced from PubChem (CID 101497875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).